11-methyl-8-phenylmethoxy-3,4-dihydro-2H-pyrimido[2,1-b]quinazolin-6-one

C19H19N3O2 — CID 118710742

IUPAC11-methyl-8-phenylmethoxy-3,4-dihydro-2H-pyrimido[2,1-b]quinazolin-6-one
SMILESCN1C2=NCCCN2C(=O)c2cc(OCc3ccccc3)ccc21
InChIInChI=1S/C19H19N3O2/c1-21-17-9-8-15(24-13-14-6-3-2-4-7-14)12-16(17)18(23)22-11-5-10-20-19(21)22/h2-4,6-9,12H,5,10-11,13H2,1H3
InChIKeyHNMPUPYMXKWLFH-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.92
Rot. Bonds3

About 11-methyl-8-phenylmethoxy-3,4-dihydro-2H-pyrimido[2,1-b]quinazolin-6-one

11-methyl-8-phenylmethoxy-3,4-dihydro-2H-pyrimido[2,1-b]quinazolin-6-one (PubChem CID 118710742) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 11-methyl-8-phenylmethoxy-3,4-dihydro-2H-pyrimido[2,1-b]quinazolin-6-one.

Molecular Properties

Compound Name11-methyl-8-phenylmethoxy-3,4-dihydro-2H-pyrimido[2,1-b]quinazolin-6-one
PubChem CID118710742
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name11-methyl-8-phenylmethoxy-3,4-dihydro-2H-pyrimido[2,1-b]quinazolin-6-one
SMILESCN1C2=NCCCN2C(=O)c2cc(OCc3ccccc3)ccc21
InChIInChI=1S/C19H19N3O2/c1-21-17-9-8-15(24-13-14-6-3-2-4-7-14)12-16(17)18(23)22-11-5-10-20-19(21)22/h2-4,6-9,12H,5,10-11,13H2,1H3
InChIKeyHNMPUPYMXKWLFH-UHFFFAOYSA-N
XLogP2.92
TPSA45.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Dictyoquinazol A
CID 637050
2-(3-(Benzyloxy)phenyl)-2,3-dihydroquinazolin-4(1H)-one
CID 300572
Dictyoquinazol C
CID 11099949
2-(2-ethoxyphenyl)-2,3-dihydro-1H-quinazolin-4-one
CID 292560
2-({2-[(3R)-3-aminopiperidin-1-yl]-6-methoxy-4-oxo-3,4-dihydroquinazolin-3-yl}methyl)benzonitrile
CID 16658103
Yil781
CID 23631116
N-((2S,4R)-1-(3-methoxybenzoyl)-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)-N-phenylacetamide
CID 7097680
2-(4-(1-cyclobutylpiperidin-4-yloxy)phenyl)-6-methoxy-3-methylquinazolin-4(3H)-one
CID 11502638
2-Ethyl-3-(4-{[3-(1-pyrrolidinyl)propyl]oxy}phenyl)-4(3H)-quinazolinone
CID 11516387
5-Fluoro-2-methyl-3-(4-{[3-(1-pyrrolidinyl)propyl]oxy}phenyl)-4(3H)-quinazolinone
CID 11675333
3-(4-[(1-Cyclobutyl-4-piperidinyl)oxy]phenyl)-5-fluoro-2-methyl-4(3H)-quinazolinone
CID 23151209
3-(4-[(1-Cyclobutyl-4-piperidinyl)oxy]phenyl)-8-fluoro-2-methyl-4(3H)-quinazolinone
CID 23151210

Frequently Asked Questions

What is the IUPAC name of 11-methyl-8-phenylmethoxy-3,4-dihydro-2H-pyrimido[2,1-b]quinazolin-6-one?
The IUPAC name of 11-methyl-8-phenylmethoxy-3,4-dihydro-2H-pyrimido[2,1-b]quinazolin-6-one (CID 118710742) is 11-methyl-8-phenylmethoxy-3,4-dihydro-2H-pyrimido[2,1-b]quinazolin-6-one.
What is the SMILES notation for 11-methyl-8-phenylmethoxy-3,4-dihydro-2H-pyrimido[2,1-b]quinazolin-6-one?
The canonical SMILES for 11-methyl-8-phenylmethoxy-3,4-dihydro-2H-pyrimido[2,1-b]quinazolin-6-one is CN1C2=NCCCN2C(=O)c2cc(OCc3ccccc3)ccc21.
What is the InChIKey of 11-methyl-8-phenylmethoxy-3,4-dihydro-2H-pyrimido[2,1-b]quinazolin-6-one?
The InChIKey is HNMPUPYMXKWLFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-21-17-9-8-15(24-13-14-6-3-2-4-7-14)12-16(17)18(23)22-11-5-10-20-19(21)22/h2-4,6-9,12H,5,10-11,13H2,1H3.
What are the key properties of 11-methyl-8-phenylmethoxy-3,4-dihydro-2H-pyrimido[2,1-b]quinazolin-6-one?
11-methyl-8-phenylmethoxy-3,4-dihydro-2H-pyrimido[2,1-b]quinazolin-6-one has a molecular weight of 321.38 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methyl-8-phenylmethoxy-3,4-dihydro-2H-pyrimido[2,1-b]quinazolin-6-one is sourced from PubChem (CID 118710742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).